Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8824695 | 0.98 | ALDH1A1 (0.55) | ALDH1A1KDM4EHPGDNPSR1HSD17B10 | |
| SCHEMBL9545627 | 0.80 | KMT2A (0.47) | ALDH1A1KDM4EHPGDNPSR1HSD17B10 | |
| SCHEMBL8536763 | 0.80 | TDP1 (0.49) | ALDH1A1KDM4EHPGDNPSR1HSD17B10 | |
| SCHEMBL8533742 | 0.79 | TDP1 (0.48) | ALDH1A1KDM4EHPGDNPSR1HSD17B10 | |
| SCHEMBL8538019 | 0.79 | TDP1 (0.48) | ALDH1A1KDM4EHPGDNPSR1HSD17B10 | |
| SCHEMBL28728842 | 0.77 | ALDH1A1 (0.68) | ALDH1A1KDM4EHPGDNPSR1HSD17B10 | |
| SCHEMBL14544649 | 0.77 | LMNA (0.76) | ALDH1A1KDM4EHPGDPOLBKMT2A | |
| SCHEMBL9501938 | 0.77 | KMT2A (0.54) | ALDH1A1KDM4EHPGDNPSR1HSD17B10 | |
| SCHEMBL7733805 | 0.76 | ALDH1A1 (0.71) | ALDH1A1KDM4EHPGDNPSR1HSD17B10 | |
| SCHEMBL29536251 | 0.75 | CYP2C19 (0.65) | ALDH1A1KDM4EHPGDPOLBCYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5360802-A | Antagonists of cholecystokinin and gastrin | MERCK SHARPE & DOHME LTD. | 1994-11-01 | — | — | US | disclosed |
| EP-0514133-A1 | Benzodiazepine derivatives, compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1992-11-19 | — | — | EP | disclosed |